(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol

C9H11F2NO — CID 93182256

IUPAC(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
SMILESNCC[C@@H](O)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1
InChIKeyMPHCJNFTNYWDDT-SECBINFHSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds3

About (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol

(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol (PubChem CID 93182256) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
PubChem CID93182256
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
SMILESNCC[C@@H](O)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1
InChIKeyMPHCJNFTNYWDDT-SECBINFHSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
CID 87630182
CID 87630182
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol
CID 82074388
4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
CID 112511117
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol (CID 93182256) is (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol is NCC[C@@H](O)c1cc(F)ccc1F.
What is the InChIKey of (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is MPHCJNFTNYWDDT-SECBINFHSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1.
What are the key properties of (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol?
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 187.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 93182256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).