2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol

C11H13ClF2O — CID 105425063

IUPAC2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
SMILESCCCc1ccc(C(F)(F)CO)cc1Cl
InChIInChI=1S/C11H13ClF2O/c1-2-3-8-4-5-9(6-10(8)12)11(13,14)7-15/h4-6,15H,2-3,7H2,1H3
InChIKeyBIEFRLRTPYGXAH-UHFFFAOYSA-N
MW234.67 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol

2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol (PubChem CID 105425063) has the molecular formula C11H13ClF2O and a molecular weight of 234.67 g/mol. Its IUPAC name is 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
PubChem CID105425063
Molecular FormulaC11H13ClF2O
Molecular Weight234.67 g/mol
Exact Mass234.06
IUPAC Name2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
SMILESCCCc1ccc(C(F)(F)CO)cc1Cl
InChIInChI=1S/C11H13ClF2O/c1-2-3-8-4-5-9(6-10(8)12)11(13,14)7-15/h4-6,15H,2-3,7H2,1H3
InChIKeyBIEFRLRTPYGXAH-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424649
2-(3-chloro-4-propylphenyl)ethanol
CID 105425048
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
CID 105425116
2-propyl-5-(trifluoromethyl)aniline
CID 105455059
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
2-chloro-4-ethylsulfonyl-1-propylbenzene
CID 59864430

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol (CID 105425063) is 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol is CCCc1ccc(C(F)(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol?
The InChIKey is BIEFRLRTPYGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2O/c1-2-3-8-4-5-9(6-10(8)12)11(13,14)7-15/h4-6,15H,2-3,7H2,1H3.
What are the key properties of 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol?
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol has a molecular weight of 234.67 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 105425063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).