3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

C13H15F4N — CID 103852553

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H15F4N/c14-12-7-9(4-5-11(12)13(15,16)17)8-2-1-3-10(18)6-8/h4-5,7-8,10H,1-3,6,18H2
InChIKeyJZXBVXHWWQDKOO-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.83
Rot. Bonds1

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 103852553) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID103852553
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H15F4N/c14-12-7-9(4-5-11(12)13(15,16)17)8-2-1-3-10(18)6-8/h4-5,7-8,10H,1-3,6,18H2
InChIKeyJZXBVXHWWQDKOO-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 113338650
cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride
CID 168719722
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
3-(3,5-difluorophenyl)cycloheptan-1-amine
CID 64505323
2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22044576
2-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]-1,3-dioxane
CID 20656772
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 103852553) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1CCCC(c2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is JZXBVXHWWQDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-12-7-9(4-5-11(12)13(15,16)17)8-2-1-3-10(18)6-8/h4-5,7-8,10H,1-3,6,18H2.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 103852553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).