4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol

C9H9ClFNO — CID 84776502

IUPAC4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
SMILESNC1(c2c(F)cc(O)cc2Cl)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(13)4-7(11)8(6)9(12)1-2-9/h3-4,13H,1-2,12H2
InChIKeyRXRLCOAHKLXALQ-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.13
Rot. Bonds1

About 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol

4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol (PubChem CID 84776502) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
PubChem CID84776502
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
SMILESNC1(c2c(F)cc(O)cc2Cl)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(13)4-7(11)8(6)9(12)1-2-9/h3-4,13H,1-2,12H2
InChIKeyRXRLCOAHKLXALQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 84802273
2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
CID 84804101
2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
CID 84774677
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol?
The IUPAC name of 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol (CID 84776502) is 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol is NC1(c2c(F)cc(O)cc2Cl)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol?
The InChIKey is RXRLCOAHKLXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-6-3-5(13)4-7(11)8(6)9(12)1-2-9/h3-4,13H,1-2,12H2.
What are the key properties of 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol?
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol has a molecular weight of 201.63 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol is sourced from PubChem (CID 84776502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).