3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline

C14H16F5NO — CID 64754052

IUPAC3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)Oc1cccc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F5NO/c15-13(16)21-12-3-1-2-11(8-12)20-10-6-4-9(5-7-10)14(17,18)19/h1-3,8-10,13,20H,4-7H2
InChIKeyMPXMGCLIBWNEKT-UHFFFAOYSA-N
MW309.28 g/mol
LogP4.82
Rot. Bonds4

About 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline

3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64754052) has the molecular formula C14H16F5NO and a molecular weight of 309.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64754052
Molecular FormulaC14H16F5NO
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)Oc1cccc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F5NO/c15-13(16)21-12-3-1-2-11(8-12)20-10-6-4-9(5-7-10)14(17,18)19/h1-3,8-10,13,20H,4-7H2
InChIKeyMPXMGCLIBWNEKT-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
CID 114280142
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64754052) is 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline is FC(F)Oc1cccc(NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is MPXMGCLIBWNEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5NO/c15-13(16)21-12-3-1-2-11(8-12)20-10-6-4-9(5-7-10)14(17,18)19/h1-3,8-10,13,20H,4-7H2.
What are the key properties of 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline?
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 309.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64754052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).