(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol

C9H9F3O — CID 103304921

IUPAC(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3O/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9,13H,2H2,1H3/t9-/m1/s1
InChIKeyXZXIWQFKEIIROU-SECBINFHSA-N
MW190.16 g/mol
LogP2.55
Rot. Bonds2

About (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol

(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol (PubChem CID 103304921) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
PubChem CID103304921
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3O/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9,13H,2H2,1H3/t9-/m1/s1
InChIKeyXZXIWQFKEIIROU-SECBINFHSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol
CID 144535425
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol?
The IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol (CID 103304921) is (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol is CC[C@@H](O)c1cc(F)c(F)cc1F.
What is the InChIKey of (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol?
The InChIKey is XZXIWQFKEIIROU-SECBINFHSA-N. The full InChI is InChI=1S/C9H9F3O/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9,13H,2H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol?
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 103304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).