3-chloro-1,1,1,2-tetrafluoropropane

C6H6Cl2F8 — CID 166072722

IUPAC3-chloro-1,1,1,2-tetrafluoropropane
SMILESFC(CCl)C(F)(F)F.FC(CCl)C(F)(F)F
InChIInChI=1S/2C3H3ClF4/c2*4-1-2(5)3(6,7)8/h2*2H,1H2
InChIKeyDLTBVTRDZDFQCV-UHFFFAOYSA-N
MW301.00 g/mol
LogP4.25
Rot. Bonds2

About 3-chloro-1,1,1,2-tetrafluoropropane

3-chloro-1,1,1,2-tetrafluoropropane (PubChem CID 166072722) has the molecular formula C6H6Cl2F8 and a molecular weight of 301.00 g/mol. Its IUPAC name is 3-chloro-1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name3-chloro-1,1,1,2-tetrafluoropropane
PubChem CID166072722
Molecular FormulaC6H6Cl2F8
Molecular Weight301.00 g/mol
Exact Mass299.97
IUPAC Name3-chloro-1,1,1,2-tetrafluoropropane
SMILESFC(CCl)C(F)(F)F.FC(CCl)C(F)(F)F
InChIInChI=1S/2C3H3ClF4/c2*4-1-2(5)3(6,7)8/h2*2H,1H2
InChIKeyDLTBVTRDZDFQCV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dichloro-1,1,1,2,2-pentafluoropropane
CID 61112
1,3-Dichloro-1,1,2,2,3-pentafluoropropane
CID 62353
1,2-Dichloro-1,1,3,3,3-pentafluoropropane
CID 61115
2,3-Dichloro-1,1,1,2,3-pentafluoropropane
CID 61111
1,3,3-Trichloro-1,1,2,2-tetrafluoropropane
CID 67909
1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane
CID 136218
1,3-Dichloro-1,1-difluoropropane
CID 69959
1,1-Dichloro-2,2,3,3-tetrafluoropropane
CID 77685
4-Chloro-1,1,1-trifluorobutane
CID 580950
Dichlorotetrafluoropropane
CID 21459302
2-Chloro-1,1,1,3,4,4,4-heptafluorobutane
CID 2778825
1,2-Dichloro-1,2,3,3-tetrafluoropropane
CID 150182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1,2-tetrafluoropropane?
The IUPAC name of 3-chloro-1,1,1,2-tetrafluoropropane (CID 166072722) is 3-chloro-1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 3-chloro-1,1,1,2-tetrafluoropropane?
The canonical SMILES for 3-chloro-1,1,1,2-tetrafluoropropane is FC(CCl)C(F)(F)F.FC(CCl)C(F)(F)F.
What is the InChIKey of 3-chloro-1,1,1,2-tetrafluoropropane?
The InChIKey is DLTBVTRDZDFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3ClF4/c2*4-1-2(5)3(6,7)8/h2*2H,1H2.
What are the key properties of 3-chloro-1,1,1,2-tetrafluoropropane?
3-chloro-1,1,1,2-tetrafluoropropane has a molecular weight of 301.00 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 166072722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).