5-chloro-1,1,2,2-tetrafluoro-4-methylpentane

C6H9ClF4 — CID 18711492

IUPAC5-chloro-1,1,2,2-tetrafluoro-4-methylpentane
SMILESCC(CCl)CC(F)(F)C(F)F
InChIInChI=1S/C6H9ClF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyRVKRKGDGTYOBKR-UHFFFAOYSA-N
MW192.58 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane

5-chloro-1,1,2,2-tetrafluoro-4-methylpentane (PubChem CID 18711492) has the molecular formula C6H9ClF4 and a molecular weight of 192.58 g/mol. Its IUPAC name is 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane.

Molecular Properties

Compound Name5-chloro-1,1,2,2-tetrafluoro-4-methylpentane
PubChem CID18711492
Molecular FormulaC6H9ClF4
Molecular Weight192.58 g/mol
Exact Mass192.03
IUPAC Name5-chloro-1,1,2,2-tetrafluoro-4-methylpentane
SMILESCC(CCl)CC(F)(F)C(F)F
InChIInChI=1S/C6H9ClF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyRVKRKGDGTYOBKR-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 53.15
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

4-Chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
1,1-Dichloro-2,2-difluoro-4-methylpentane
CID 21733016
2-(Chloromethyl)-1,1,1-trifluorobutane
CID 12804440
4-Chloro-1,1,1-trifluoro-2-methylbutane
CID 12804443
5-Methyl-2,2,4-trichoro-1,1,1-trifluorohexane
CID 14350311
4-Chloro-1,1,1,2-tetrafluoro-3-methylbutane
CID 21459258
4-Chloro-1,1,2-trifluoro-3-methylbutane
CID 21459297
6-Chloro-3-ethyl-1,1,1,2,2-pentafluorohexane
CID 57213638
1-Chloro-1,2,2-trifluoro-3-methylbutane
CID 58422604
5-Chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane
CID 59024458
3-Chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane
CID 87212025
4-Chloro-2-(difluoromethyl)-1,1,1,2-tetrafluoropentane
CID 87212054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane?
The IUPAC name of 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane (CID 18711492) is 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane.
What is the SMILES notation for 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane?
The canonical SMILES for 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane is CC(CCl)CC(F)(F)C(F)F.
What is the InChIKey of 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane?
The InChIKey is RVKRKGDGTYOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane?
5-chloro-1,1,2,2-tetrafluoro-4-methylpentane has a molecular weight of 192.58 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,2,2-tetrafluoro-4-methylpentane is sourced from PubChem (CID 18711492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).