1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol

C10H9ClF2O — CID 164945789

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol
SMILESCC(C)=C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2O/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-4,14H,1-2H3
InChIKeyNZFDNJHYWISMNK-UHFFFAOYSA-N
MW218.63 g/mol
LogP3.93
Rot. Bonds1

About 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol

1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol (PubChem CID 164945789) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol
PubChem CID164945789
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol
SMILESCC(C)=C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2O/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-4,14H,1-2H3
InChIKeyNZFDNJHYWISMNK-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
CID 82771669
(Z)-2-(4-chloro-2,5-difluorophenyl)-3-(dimethylamino)prop-2-enal
CID 168949635
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
1-(4-chloro-2,5-difluorophenyl)-2-cyclopropylethanone
CID 114974728
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
acetyl 2,4-dichloro-5-fluorobenzoate
CID 134687762
2,5-dichloro-4-fluorophenol
CID 3535760

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol (CID 164945789) is 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol is CC(C)=C(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol?
The InChIKey is NZFDNJHYWISMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c1-5(2)10(14)6-3-9(13)7(11)4-8(6)12/h3-4,14H,1-2H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol?
1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol has a molecular weight of 218.63 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol is sourced from PubChem (CID 164945789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).