1-cyclohexyl-6,6,6-trifluorohexan-3-amine

C12H22F3N — CID 104992655

IUPAC1-cyclohexyl-6,6,6-trifluorohexan-3-amine
SMILESNC(CCC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C12H22F3N/c13-12(14,15)9-8-11(16)7-6-10-4-2-1-3-5-10/h10-11H,1-9,16H2
InChIKeyQMVOZHPEJKCDPE-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.02
Rot. Bonds5

About 1-cyclohexyl-6,6,6-trifluorohexan-3-amine

1-cyclohexyl-6,6,6-trifluorohexan-3-amine (PubChem CID 104992655) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-cyclohexyl-6,6,6-trifluorohexan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-6,6,6-trifluorohexan-3-amine
PubChem CID104992655
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-cyclohexyl-6,6,6-trifluorohexan-3-amine
SMILESNC(CCC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C12H22F3N/c13-12(14,15)9-8-11(16)7-6-10-4-2-1-3-5-10/h10-11H,1-9,16H2
InChIKeyQMVOZHPEJKCDPE-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
3-(Trifluoromethyl)cyclohexylamine (cis-and trans-mixture)
CID 16227766
4-(2-Methylpentyl)cyclohexanamine
CID 99093
(2R)-1-cyclohexylpropan-2-amine
CID 12878584
Cyclohexylamine, 4-nonyl-
CID 3063999
alpha-Cyclohexylcyclohexanemethanamine
CID 10774245
cis-4-(Trifluoromethyl)cyclohexylamine
CID 13714353
rac-(1R,2S)-2-(trifluoromethyl)cyclohexan-1-amine
CID 25323749
1-Cyclohexylpropan-1-amine
CID 14743607

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6,6,6-trifluorohexan-3-amine?
The IUPAC name of 1-cyclohexyl-6,6,6-trifluorohexan-3-amine (CID 104992655) is 1-cyclohexyl-6,6,6-trifluorohexan-3-amine.
What is the SMILES notation for 1-cyclohexyl-6,6,6-trifluorohexan-3-amine?
The canonical SMILES for 1-cyclohexyl-6,6,6-trifluorohexan-3-amine is NC(CCC1CCCCC1)CCC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-6,6,6-trifluorohexan-3-amine?
The InChIKey is QMVOZHPEJKCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c13-12(14,15)9-8-11(16)7-6-10-4-2-1-3-5-10/h10-11H,1-9,16H2.
What are the key properties of 1-cyclohexyl-6,6,6-trifluorohexan-3-amine?
1-cyclohexyl-6,6,6-trifluorohexan-3-amine has a molecular weight of 237.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,6,6-trifluorohexan-3-amine is sourced from PubChem (CID 104992655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).