2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol

C12H16F2O2 — CID 117332372

IUPAC2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(F)F)ccc1C(C)(C)CO
InChIInChI=1S/C12H16F2O2/c1-12(2,7-15)9-5-4-8(11(13)14)6-10(9)16-3/h4-6,11,15H,7H2,1-3H3
InChIKeyLFYQVPYDUDNFTG-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol

2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (PubChem CID 117332372) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
PubChem CID117332372
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(F)F)ccc1C(C)(C)CO
InChIInChI=1S/C12H16F2O2/c1-12(2,7-15)9-5-4-8(11(13)14)6-10(9)16-3/h4-6,11,15H,7H2,1-3H3
InChIKeyLFYQVPYDUDNFTG-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117379898
2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 123503724
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
2-[[2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131524
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
CID 117404587
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (CID 117332372) is 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is COc1cc(C(F)F)ccc1C(C)(C)CO.
What is the InChIKey of 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is LFYQVPYDUDNFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-12(2,7-15)9-5-4-8(11(13)14)6-10(9)16-3/h4-6,11,15H,7H2,1-3H3.
What are the key properties of 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117332372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).