2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol

C10H9ClF3NO — CID 84804101

IUPAC2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
SMILESNC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C10H9ClF3NO/c11-6-3-5(10(12,13)14)4-7(16)8(6)9(15)1-2-9/h3-4,16H,1-2,15H2
InChIKeySWVILTHZBXVAHB-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.01
Rot. Bonds1

About 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol

2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol (PubChem CID 84804101) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
PubChem CID84804101
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
SMILESNC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C10H9ClF3NO/c11-6-3-5(10(12,13)14)4-7(16)8(6)9(15)1-2-9/h3-4,16H,1-2,15H2
InChIKeySWVILTHZBXVAHB-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
CID 117475183
2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
CID 84708305
2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
CID 84803554
2-(4-aminobutyl)-3-chloro-5-(trifluoromethyl)phenol
CID 117422615
3-chloro-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-5-(trifluoromethyl)phenol
CID 169377712
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
CID 117473837
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
CID 21466281

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol (CID 84804101) is 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol is NC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol?
The InChIKey is SWVILTHZBXVAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-6-3-5(10(12,13)14)4-7(16)8(6)9(15)1-2-9/h3-4,16H,1-2,15H2.
What are the key properties of 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol?
2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol has a molecular weight of 251.63 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 84804101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).