2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane

C8H12F4 — CID 121477054

IUPAC2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C(F)(F)F)CC1F
InChIInChI=1S/C8H12F4/c1-5-2-3-6(4-7(5)9)8(10,11)12/h5-7H,2-4H2,1H3
InChIKeyVKYIEFDLHBKXFW-UHFFFAOYSA-N
MW184.18 g/mol
LogP3.32
Rot. Bonds

About 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane

2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane (PubChem CID 121477054) has the molecular formula C8H12F4 and a molecular weight of 184.18 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane
PubChem CID121477054
Molecular FormulaC8H12F4
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C(F)(F)F)CC1F
InChIInChI=1S/C8H12F4/c1-5-2-3-6(4-7(5)9)8(10,11)12/h5-7H,2-4H2,1H3
InChIKeyVKYIEFDLHBKXFW-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane (CID 121477054) is 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane is CC1CCC(C(F)(F)F)CC1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane?
The InChIKey is VKYIEFDLHBKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4/c1-5-2-3-6(4-7(5)9)8(10,11)12/h5-7H,2-4H2,1H3.
What are the key properties of 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane?
2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane has a molecular weight of 184.18 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 121477054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).