1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane

C14H25F3 — CID 174347728

IUPAC1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane
SMILESCC(C)C1C(C)C(CF)C(C(C)C)C(F)C1F
InChIInChI=1S/C14H25F3/c1-7(2)11-9(5)10(6-15)12(8(3)4)14(17)13(11)16/h7-14H,6H2,1-5H3
InChIKeyQCETUFQQOWEAKL-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.44
Rot. Bonds3

About 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane

1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane (PubChem CID 174347728) has the molecular formula C14H25F3 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane
PubChem CID174347728
Molecular FormulaC14H25F3
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane
SMILESCC(C)C1C(C)C(CF)C(C(C)C)C(F)C1F
InChIInChI=1S/C14H25F3/c1-7(2)11-9(5)10(6-15)12(8(3)4)14(17)13(11)16/h7-14H,6H2,1-5H3
InChIKeyQCETUFQQOWEAKL-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-1-(2-methyl-3-propan-2-ylcyclopropyl)methanamine
CID 164726358
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
2-methyl-3-propan-2-ylcyclopropane-1-thiol
CID 123473140
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
CID 164775045
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane
CID 123224647
3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane
CID 123145146
(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
CID 158984587
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane?
The IUPAC name of 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane (CID 174347728) is 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane is CC(C)C1C(C)C(CF)C(C(C)C)C(F)C1F.
What is the InChIKey of 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane?
The InChIKey is QCETUFQQOWEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3/c1-7(2)11-9(5)10(6-15)12(8(3)4)14(17)13(11)16/h7-14H,6H2,1-5H3.
What are the key properties of 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane?
1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane has a molecular weight of 250.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(fluoromethyl)-5-methyl-3,6-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 174347728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).