4-chloro-4-(2,5-difluorophenyl)butan-1-ol

C10H11ClF2O — CID 82367002

IUPAC4-chloro-4-(2,5-difluorophenyl)butan-1-ol
SMILESOCCCC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C10H11ClF2O/c11-9(2-1-5-14)8-6-7(12)3-4-10(8)13/h3-4,6,9,14H,1-2,5H2
InChIKeyMLRZSVFOWJFGTG-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.02
Rot. Bonds4

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

4-chloro-4-(2,5-difluorophenyl)butan-1-ol (PubChem CID 82367002) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 4-chloro-4-(2,5-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-4-(2,5-difluorophenyl)butan-1-ol
PubChem CID82367002
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name4-chloro-4-(2,5-difluorophenyl)butan-1-ol
SMILESOCCCC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C10H11ClF2O/c11-9(2-1-5-14)8-6-7(12)3-4-10(8)13/h3-4,6,9,14H,1-2,5H2
InChIKeyMLRZSVFOWJFGTG-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
3-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylpropan-1-ol
CID 107525347
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
CID 55265560
4-chloro-4-(4-fluoro-3-nitrophenyl)butan-1-ol
CID 82366987
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-(2,5-difluorophenyl)butan-1-ol?
The IUPAC name of 4-chloro-4-(2,5-difluorophenyl)butan-1-ol (CID 82367002) is 4-chloro-4-(2,5-difluorophenyl)butan-1-ol.
What is the SMILES notation for 4-chloro-4-(2,5-difluorophenyl)butan-1-ol?
The canonical SMILES for 4-chloro-4-(2,5-difluorophenyl)butan-1-ol is OCCCC(Cl)c1cc(F)ccc1F.
What is the InChIKey of 4-chloro-4-(2,5-difluorophenyl)butan-1-ol?
The InChIKey is MLRZSVFOWJFGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c11-9(2-1-5-14)8-6-7(12)3-4-10(8)13/h3-4,6,9,14H,1-2,5H2.
What are the key properties of 4-chloro-4-(2,5-difluorophenyl)butan-1-ol?
4-chloro-4-(2,5-difluorophenyl)butan-1-ol has a molecular weight of 220.65 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-(2,5-difluorophenyl)butan-1-ol is sourced from PubChem (CID 82367002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).