1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine

C14H18F3N — CID 117396413

IUPAC1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2cccc(CC(F)(F)F)c2)CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)10-11-5-4-6-12(9-11)13(18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2
InChIKeyGHUJHPGRMFUOBB-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.91
Rot. Bonds2

About 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine

1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine (PubChem CID 117396413) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
PubChem CID117396413
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2cccc(CC(F)(F)F)c2)CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)10-11-5-4-6-12(9-11)13(18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2
InChIKeyGHUJHPGRMFUOBB-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
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1-(3-methylphenyl)cyclopentan-1-amine
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CID 117347761
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
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CID 65007104
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
CID 117112780
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine (CID 117396413) is 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine is NC1(c2cccc(CC(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine?
The InChIKey is GHUJHPGRMFUOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)10-11-5-4-6-12(9-11)13(18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine?
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117396413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).