(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol

C9H8F3NO3 — CID 125489284

IUPAC(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc([C@H](O)CC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-8(14)6-2-1-3-7(4-6)13(15)16/h1-4,8,14H,5H2/t8-/m1/s1
InChIKeyBGMPOHGPMWRNQA-MRVPVSSYSA-N
MW235.16 g/mol
LogP2.58
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol

(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol (PubChem CID 125489284) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
PubChem CID125489284
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc([C@H](O)CC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-8(14)6-2-1-3-7(4-6)13(15)16/h1-4,8,14H,5H2/t8-/m1/s1
InChIKeyBGMPOHGPMWRNQA-MRVPVSSYSA-N
XLogP2.58
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
(4R)-1,4-dihydroxy-4-(3-nitrophenyl)butan-2-one
CID 102374268
(1R)-4,4,4-trifluoro-1-(3-nitrophenyl)butan-1-amine
CID 171198017
1-[(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propyl]piperazine;dihydrochloride
CID 171303263
1-(3-nitrophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 109411677
2-(ethylamino)-1-(3-nitrophenyl)ethanol
CID 44719347
[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-di(propan-2-yl)azanium
CID 7334170
methyl 4-hydroxy-4-(3-nitrophenyl)butanoate
CID 54942556
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
CID 6922856
2-[di(propan-2-yl)amino]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 2900200
1,1,1-trifluoro-5-(3-nitrophenyl)hexan-3-one
CID 139350010
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol (CID 125489284) is (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol is O=[N+]([O-])c1cccc([C@H](O)CC(F)(F)F)c1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol?
The InChIKey is BGMPOHGPMWRNQA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)5-8(14)6-2-1-3-7(4-6)13(15)16/h1-4,8,14H,5H2/t8-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol?
(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol has a molecular weight of 235.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol is sourced from PubChem (CID 125489284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).