2-(2,4-difluoroanilino)cyclobutan-1-ol

C10H11F2NO — CID 126856726

IUPAC2-(2,4-difluoroanilino)cyclobutan-1-ol
SMILESOC1CCC1Nc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO/c11-6-1-2-8(7(12)5-6)13-9-3-4-10(9)14/h1-2,5,9-10,13-14H,3-4H2
InChIKeyCIIMCZVPTSKTPQ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.90
Rot. Bonds2

About 2-(2,4-difluoroanilino)cyclobutan-1-ol

2-(2,4-difluoroanilino)cyclobutan-1-ol (PubChem CID 126856726) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)cyclobutan-1-ol
PubChem CID126856726
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(2,4-difluoroanilino)cyclobutan-1-ol
SMILESOC1CCC1Nc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO/c11-6-1-2-8(7(12)5-6)13-9-3-4-10(9)14/h1-2,5,9-10,13-14H,3-4H2
InChIKeyCIIMCZVPTSKTPQ-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
CID 131701479
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
N-(2,4-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853708
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)cyclobutan-1-ol?
The IUPAC name of 2-(2,4-difluoroanilino)cyclobutan-1-ol (CID 126856726) is 2-(2,4-difluoroanilino)cyclobutan-1-ol.
What is the SMILES notation for 2-(2,4-difluoroanilino)cyclobutan-1-ol?
The canonical SMILES for 2-(2,4-difluoroanilino)cyclobutan-1-ol is OC1CCC1Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoroanilino)cyclobutan-1-ol?
The InChIKey is CIIMCZVPTSKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-6-1-2-8(7(12)5-6)13-9-3-4-10(9)14/h1-2,5,9-10,13-14H,3-4H2.
What are the key properties of 2-(2,4-difluoroanilino)cyclobutan-1-ol?
2-(2,4-difluoroanilino)cyclobutan-1-ol has a molecular weight of 199.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)cyclobutan-1-ol is sourced from PubChem (CID 126856726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).