1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine

C11H19F4N — CID 84737021

IUPAC1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(C(F)C(F)(F)F)CC1
InChIInChI=1S/C11H19F4N/c1-7(16)6-8-2-4-9(5-3-8)10(12)11(13,14)15/h7-10H,2-6,16H2,1H3
InChIKeyKQRQVXBCEFMUCQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.43
Rot. Bonds3

About 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine

1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine (PubChem CID 84737021) has the molecular formula C11H19F4N and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
PubChem CID84737021
Molecular FormulaC11H19F4N
Molecular Weight241.27 g/mol
Exact Mass241.15
IUPAC Name1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(C(F)C(F)(F)F)CC1
InChIInChI=1S/C11H19F4N/c1-7(16)6-8-2-4-9(5-3-8)10(12)11(13,14)15/h7-10H,2-6,16H2,1H3
InChIKeyKQRQVXBCEFMUCQ-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane
CID 84738909
2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde
CID 84735787
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
1-cyclopropyl-3-fluorobutan-2-amine
CID 84648134
[4-(2,3,3,3-tetrafluoropropyl)cyclohexyl]methanamine
CID 84735882
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
[3,3,3-trifluoro-2-(trifluoromethyl)propyl]cyclopropane
CID 87736977

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine?
The IUPAC name of 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine (CID 84737021) is 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine is CC(N)CC1CCC(C(F)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine?
The InChIKey is KQRQVXBCEFMUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4N/c1-7(16)6-8-2-4-9(5-3-8)10(12)11(13,14)15/h7-10H,2-6,16H2,1H3.
What are the key properties of 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine?
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine has a molecular weight of 241.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine is sourced from PubChem (CID 84737021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).