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

C10H11ClF2O — CID 115780952

IUPAC1-(4-chloro-2,5-difluorophenyl)butan-1-ol
SMILESCCCC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H11ClF2O/c1-2-3-10(14)6-4-9(13)7(11)5-8(6)12/h4-5,10,14H,2-3H2,1H3
InChIKeyDAMPGRTXXHWMGD-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.45
Rot. Bonds3

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

1-(4-chloro-2,5-difluorophenyl)butan-1-ol (PubChem CID 115780952) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)butan-1-ol
PubChem CID115780952
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name1-(4-chloro-2,5-difluorophenyl)butan-1-ol
SMILESCCCC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H11ClF2O/c1-2-3-10(14)6-4-9(13)7(11)5-8(6)12/h4-5,10,14H,2-3H2,1H3
InChIKeyDAMPGRTXXHWMGD-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.45
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

1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128
1-(4-chloro-2,5-difluorophenyl)pent-3-yn-1-ol
CID 115780031
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)butan-1-ol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)butan-1-ol (CID 115780952) is 1-(4-chloro-2,5-difluorophenyl)butan-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)butan-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)butan-1-ol is CCCC(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)butan-1-ol?
The InChIKey is DAMPGRTXXHWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-2-3-10(14)6-4-9(13)7(11)5-8(6)12/h4-5,10,14H,2-3H2,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)butan-1-ol?
1-(4-chloro-2,5-difluorophenyl)butan-1-ol has a molecular weight of 220.65 g/mol, XLogP of 3.45, 3 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)butan-1-ol is sourced from PubChem (CID 115780952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).