5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol

C12H15ClFNO — CID 84802250

IUPAC5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
SMILESNC1(c2cc(O)c(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C12H15ClFNO/c13-9-6-8(7-10(16)11(9)14)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2
InChIKeyLNRBJPFELKDMBT-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.30
Rot. Bonds1

About 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol

5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol (PubChem CID 84802250) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
PubChem CID84802250
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
SMILESNC1(c2cc(O)c(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C12H15ClFNO/c13-9-6-8(7-10(16)11(9)14)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2
InChIKeyLNRBJPFELKDMBT-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
CID 117473837
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
CID 84803020
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
CID 117446827

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol?
The IUPAC name of 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol (CID 84802250) is 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol.
What is the SMILES notation for 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol?
The canonical SMILES for 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol is NC1(c2cc(O)c(F)c(Cl)c2)CCCCC1.
What is the InChIKey of 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol?
The InChIKey is LNRBJPFELKDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-6-8(7-10(16)11(9)14)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2.
What are the key properties of 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol?
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol has a molecular weight of 243.71 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol is sourced from PubChem (CID 84802250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).