(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol

C9H10ClF2NO — CID 130690627

IUPAC(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO/c1-9(13,4-14)5-2-7(11)8(12)3-6(5)10/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyHZPVZRHBOLNFPF-VIFPVBQESA-N
MW221.63 g/mol
LogP1.78
Rot. Bonds2

About (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol

(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol (PubChem CID 130690627) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
PubChem CID130690627
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO/c1-9(13,4-14)5-2-7(11)8(12)3-6(5)10/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyHZPVZRHBOLNFPF-VIFPVBQESA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
CID 130690062
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol
CID 130690674
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
CID 131218511
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol (CID 130690627) is (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol is C[C@](N)(CO)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol?
The InChIKey is HZPVZRHBOLNFPF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-9(13,4-14)5-2-7(11)8(12)3-6(5)10/h2-3,14H,4,13H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol?
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol has a molecular weight of 221.63 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 130690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).