2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol

C9H8ClFO — CID 70429367

IUPAC2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol
SMILESOCC(=CF)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClFO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-5,12H,6H2
InChIKeyHJTHBUJKVZCZHR-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.64
Rot. Bonds2

About 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol

2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol (PubChem CID 70429367) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol
PubChem CID70429367
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol
SMILESOCC(=CF)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClFO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-5,12H,6H2
InChIKeyHJTHBUJKVZCZHR-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol
CID 172583598
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
(E)-4-(3-chlorophenyl)hex-3-enoic acid
CID 83950159
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane
CID 16745205
1-chloro-3-[(2E)-4-methylpenta-2,4-dien-2-yl]benzene
CID 143764224
1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene
CID 88636506
2-(3-chlorophenyl)prop-2-enenitrile
CID 21447869
(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
CID 115026219
3-(3-chlorophenyl)-3-iminopropanal
CID 86737070
(E)-4-(3-chlorophenyl)pent-3-enoic acid
CID 83950160

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol (CID 70429367) is 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol is OCC(=CF)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol?
The InChIKey is HJTHBUJKVZCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-5,12H,6H2.
What are the key properties of 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol?
2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol has a molecular weight of 186.61 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol is sourced from PubChem (CID 70429367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).