2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

C7ClF15 — CID 139815778

IUPAC2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C7ClF15/c8-1(9,6(18,19)20)2(10,11)3(12,13)4(14,15)5(16,17)7(21,22)23
InChIKeyKUWBCLIIBUINBD-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.56
Rot. Bonds4

About 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (PubChem CID 139815778) has the molecular formula C7ClF15 and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.

Molecular Properties

Compound Name2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
PubChem CID139815778
Molecular FormulaC7ClF15
Molecular Weight404.50 g/mol
Exact Mass403.94
IUPAC Name2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C7ClF15/c8-1(9,6(18,19)20)2(10,11)3(12,13)4(14,15)5(16,17)7(21,22)23
InChIKeyKUWBCLIIBUINBD-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.56
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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Related Compounds

1,8-Dichloroperfluorooctane
CID 2774033
1-Chloroheptadecafluorooctane
CID 101641
1,6-Dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 67732
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
CID 12665887
2-Chloroperfluoropentane
CID 13300296
1-Chloroperfluoropentane
CID 13300297
2-Chloroperfluorohexane
CID 139815772
1,1,1-Trichloro-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane
CID 14451758
4-Chloro-1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 14594051
1,10-Dichloroperfluorodecane
CID 2774032
1,1,3,3,5,7,7-Heptachloro-1,2,2,4,4,5,6,6,7-nonafluoroheptane
CID 13684773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The IUPAC name of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (CID 139815778) is 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.
What is the SMILES notation for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The canonical SMILES for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The InChIKey is KUWBCLIIBUINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF15/c8-1(9,6(18,19)20)2(10,11)3(12,13)4(14,15)5(16,17)7(21,22)23.
What are the key properties of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane has a molecular weight of 404.50 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is sourced from PubChem (CID 139815778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).