4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

C16H21F4N — CID 107448399

IUPAC4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N/c1-10(2)11-4-3-5-12(8-11)21-13-6-7-15(17)14(9-13)16(18,19)20/h6-7,9-12,21H,3-5,8H2,1-2H3
InChIKeyKZTWMRQCZRMQQK-UHFFFAOYSA-N
MW303.34 g/mol
LogP5.47
Rot. Bonds3

About 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 107448399) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID107448399
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N/c1-10(2)11-4-3-5-12(8-11)21-13-6-7-15(17)14(9-13)16(18,19)20/h6-7,9-12,21H,3-5,8H2,1-2H3
InChIKeyKZTWMRQCZRMQQK-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
methyl 2-fluoro-5-[(3-propan-2-ylcyclohexyl)amino]benzoate
CID 107448128
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
N-(3-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 107447796
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
4-[4-fluoro-3-(trifluoromethyl)anilino]azepan-2-one
CID 63905394
4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64595837

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (CID 107448399) is 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is CC(C)C1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is KZTWMRQCZRMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-10(2)11-4-3-5-12(8-11)21-13-6-7-15(17)14(9-13)16(18,19)20/h6-7,9-12,21H,3-5,8H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 303.34 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 107448399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).