chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride

C14H19Cl7F16 — CID 161414981

IUPACchloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride
SMILESC=C(F)C(F)(F)F.CC(Cl)(Cl)C(Cl)(Cl)Cl.CC(F)(Cl)C(F)(F)F.CC(F)(F)C(F)(F)F.CCl.CF.F.F
InChIInChI=1S/C3H3Cl5.C3H3ClF4.C3H3F5.C3H2F4.CH3Cl.CH3F.2FH/c3*1-2(4,5)3(6,7)8;1-2(4)3(5,6)7;2*1-2;;/h3*1H3;1H2;2*1H3;2*1H
InChIKeyVVYQYTXPBNJKBD-UHFFFAOYSA-N
MW739.44 g/mol
LogP12.01
Rot. Bonds

About chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride

chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride (PubChem CID 161414981) has the molecular formula C14H19Cl7F16 and a molecular weight of 739.44 g/mol. Its IUPAC name is chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride.

Molecular Properties

Compound Namechloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride
PubChem CID161414981
Molecular FormulaC14H19Cl7F16
Molecular Weight739.44 g/mol
Exact Mass735.91
IUPAC Namechloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride
SMILESC=C(F)C(F)(F)F.CC(Cl)(Cl)C(Cl)(Cl)Cl.CC(F)(Cl)C(F)(F)F.CC(F)(F)C(F)(F)F.CCl.CF.F.F
InChIInChI=1S/C3H3Cl5.C3H3ClF4.C3H3F5.C3H2F4.CH3Cl.CH3F.2FH/c3*1-2(4,5)3(6,7)8;1-2(4)3(5,6)7;2*1-2;;/h3*1H3;1H2;2*1H3;2*1H
InChIKeyVVYQYTXPBNJKBD-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.44
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride?
The IUPAC name of chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride (CID 161414981) is chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride.
What is the SMILES notation for chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride?
The canonical SMILES for chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride is C=C(F)C(F)(F)F.CC(Cl)(Cl)C(Cl)(Cl)Cl.CC(F)(Cl)C(F)(F)F.CC(F)(F)C(F)(F)F.CCl.CF.F.F.
What is the InChIKey of chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride?
The InChIKey is VVYQYTXPBNJKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl5.C3H3ClF4.C3H3F5.C3H2F4.CH3Cl.CH3F.2FH/c3*1-2(4,5)3(6,7)8;1-2(4)3(5,6)7;2*1-2;;/h3*1H3;1H2;2*1H3;2*1H.
What are the key properties of chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride?
chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride has a molecular weight of 739.44 g/mol, XLogP of 12.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-chloro-1,1,1,2-tetrafluoropropane;fluoromethane;1,1,1,2,2-pentachloropropane;1,1,1,2,2-pentafluoropropane;2,3,3,3-tetrafluoroprop-1-ene;dihydrofluoride is sourced from PubChem (CID 161414981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).