4-chloro-N-cyclohexyl-2-fluoroaniline

C12H15ClFN — CID 43716554

IUPAC4-chloro-N-cyclohexyl-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NC1CCCCC1
InChIInChI=1S/C12H15ClFN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyQBMAAIDJZCHYHT-UHFFFAOYSA-N
MW227.71 g/mol
LogP4.22
Rot. Bonds2

About 4-chloro-N-cyclohexyl-2-fluoroaniline

4-chloro-N-cyclohexyl-2-fluoroaniline (PubChem CID 43716554) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-2-fluoroaniline
PubChem CID43716554
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name4-chloro-N-cyclohexyl-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NC1CCCCC1
InChIInChI=1S/C12H15ClFN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyQBMAAIDJZCHYHT-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
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4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
6-chloro-1,4-bis(cyclohexylamino)anthracene-9,10-dione
CID 71355818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-2-fluoroaniline?
The IUPAC name of 4-chloro-N-cyclohexyl-2-fluoroaniline (CID 43716554) is 4-chloro-N-cyclohexyl-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-cyclohexyl-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-cyclohexyl-2-fluoroaniline is Fc1cc(Cl)ccc1NC1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-2-fluoroaniline?
The InChIKey is QBMAAIDJZCHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2.
What are the key properties of 4-chloro-N-cyclohexyl-2-fluoroaniline?
4-chloro-N-cyclohexyl-2-fluoroaniline has a molecular weight of 227.71 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-2-fluoroaniline is sourced from PubChem (CID 43716554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).