1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

C13H21F6N — CID 103311644

IUPAC1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyFNYQGHRRBVSRKS-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.68
Rot. Bonds5

About 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311644) has the molecular formula C13H21F6N and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311644
Molecular FormulaC13H21F6N
Molecular Weight305.31 g/mol
Exact Mass305.16
IUPAC Name1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyFNYQGHRRBVSRKS-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311643
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103311644) is 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is FNYQGHRRBVSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 305.31 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).