N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline

C12H14F3N — CID 175966834

IUPACN-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
SMILESFc1cccc(N[C@@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C12H14F3N/c13-9-3-1-4-10(7-9)16-11-5-2-6-12(14,15)8-11/h1,3-4,7,11,16H,2,5-6,8H2/t11-/m1/s1
InChIKeyFYAGBOLVJXTINI-LLVKDONJSA-N
MW229.24 g/mol
LogP3.82
Rot. Bonds2

About N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline

N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline (PubChem CID 175966834) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
PubChem CID175966834
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
SMILESFc1cccc(N[C@@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C12H14F3N/c13-9-3-1-4-10(7-9)16-11-5-2-6-12(14,15)8-11/h1,3-4,7,11,16H,2,5-6,8H2/t11-/m1/s1
InChIKeyFYAGBOLVJXTINI-LLVKDONJSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-difluorocyclohexyl)-3-fluoroaniline
CID 170406630
N-(3,3-difluorocyclopentyl)aniline
CID 170406665
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline
CID 130532973
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
CID 81421882
N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline?
The IUPAC name of N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline (CID 175966834) is N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline.
What is the SMILES notation for N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline?
The canonical SMILES for N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline is Fc1cccc(N[C@@H]2CCCC(F)(F)C2)c1.
What is the InChIKey of N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline?
The InChIKey is FYAGBOLVJXTINI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3N/c13-9-3-1-4-10(7-9)16-11-5-2-6-12(14,15)8-11/h1,3-4,7,11,16H,2,5-6,8H2/t11-/m1/s1.
What are the key properties of N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline?
N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline has a molecular weight of 229.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline is sourced from PubChem (CID 175966834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).