(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol

C9H6F2O — CID 130563244

IUPAC(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol
SMILESC#C[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C9H6F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h1,3-5,8,12H/t8-/m1/s1
InChIKeyCIBMTAAXRLQQOC-MRVPVSSYSA-N
MW168.14 g/mol
LogP1.63
Rot. Bonds1

About (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol

(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol (PubChem CID 130563244) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol
PubChem CID130563244
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol
SMILESC#C[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C9H6F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h1,3-5,8,12H/t8-/m1/s1
InChIKeyCIBMTAAXRLQQOC-MRVPVSSYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3-fluorophenyl)prop-2-yn-1-ol
CID 115811194
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,3,4-trifluorophenyl)prop-2-yn-1-ol
CID 115811100
3-(2,6-difluorophenyl)-3-hydroxypropanenitrile
CID 79118056
1,3-difluoro-2-pent-4-yn-2-ylbenzene
CID 83925354
(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
CID 130512088
1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
CID 79522247
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol (CID 130563244) is (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol is C#C[C@@H](O)c1c(F)cccc1F.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol?
The InChIKey is CIBMTAAXRLQQOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H6F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h1,3-5,8,12H/t8-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol?
(1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol has a molecular weight of 168.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 130563244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).