4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane

C6H7ClF6 — CID 87212054

IUPAC4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane
SMILESCC(Cl)CC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7ClF6/c1-3(7)2-5(10,4(8)9)6(11,12)13/h3-4H,2H2,1H3
InChIKeyCJMKSLNOSZAYQO-UHFFFAOYSA-N
MW228.56 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane

4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane (PubChem CID 87212054) has the molecular formula C6H7ClF6 and a molecular weight of 228.56 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane
PubChem CID87212054
Molecular FormulaC6H7ClF6
Molecular Weight228.56 g/mol
Exact Mass228.01
IUPAC Name4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane
SMILESCC(Cl)CC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7ClF6/c1-3(7)2-5(10,4(8)9)6(11,12)13/h3-4H,2H2,1H3
InChIKeyCJMKSLNOSZAYQO-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane (CID 87212054) is 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane is CC(Cl)CC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane?
The InChIKey is CJMKSLNOSZAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF6/c1-3(7)2-5(10,4(8)9)6(11,12)13/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane?
4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane has a molecular weight of 228.56 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane is sourced from PubChem (CID 87212054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).