3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol

C12H16F2O — CID 162574703

IUPAC3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol
SMILESCc1cc(C(C)(F)F)ccc1CCCO
InChIInChI=1S/C12H16F2O/c1-9-8-11(12(2,13)14)6-5-10(9)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyPIPTXORHQNXKGQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.03
Rot. Bonds4

About 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol

3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol (PubChem CID 162574703) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol
PubChem CID162574703
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol
SMILESCc1cc(C(C)(F)F)ccc1CCCO
InChIInChI=1S/C12H16F2O/c1-9-8-11(12(2,13)14)6-5-10(9)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyPIPTXORHQNXKGQ-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol
CID 145014775
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
5-(1,1-difluoroethyl)-2-methylphenol
CID 84654331
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
CID 70958583

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol?
The IUPAC name of 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol (CID 162574703) is 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol?
The canonical SMILES for 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol is Cc1cc(C(C)(F)F)ccc1CCCO.
What is the InChIKey of 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol?
The InChIKey is PIPTXORHQNXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-9-8-11(12(2,13)14)6-5-10(9)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol?
3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol is sourced from PubChem (CID 162574703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).