1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C12H19F6N — CID 103312013

IUPAC1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCC1CCC(C(N)C(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C12H19F6N/c1-6-3-4-8(5-7(6)2)9(19)10(11(13,14)15)12(16,17)18/h6-10H,3-5,19H2,1-2H3
InChIKeyNRYVYPTZVXEKLR-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.13
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312013) has the molecular formula C12H19F6N and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312013
Molecular FormulaC12H19F6N
Molecular Weight291.28 g/mol
Exact Mass291.14
IUPAC Name1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCC1CCC(C(N)C(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C12H19F6N/c1-6-3-4-8(5-7(6)2)9(19)10(11(13,14)15)12(16,17)18/h6-10H,3-5,19H2,1-2H3
InChIKeyNRYVYPTZVXEKLR-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312013) is 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is CC1CCC(C(N)C(C(F)(F)F)C(F)(F)F)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is NRYVYPTZVXEKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6N/c1-6-3-4-8(5-7(6)2)9(19)10(11(13,14)15)12(16,17)18/h6-10H,3-5,19H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 291.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).