3,4-difluoro-N-(3-methylcyclobutyl)aniline

C11H13F2N — CID 104860122

IUPAC3,4-difluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2N/c1-7-4-9(5-7)14-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyCHAQQHSIIKEEAW-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.18
Rot. Bonds2

About 3,4-difluoro-N-(3-methylcyclobutyl)aniline

3,4-difluoro-N-(3-methylcyclobutyl)aniline (PubChem CID 104860122) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(3-methylcyclobutyl)aniline
PubChem CID104860122
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3,4-difluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2N/c1-7-4-9(5-7)14-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyCHAQQHSIIKEEAW-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
3-fluoro-N-(3-methylcyclobutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 104860232
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
N-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512824
4-chloro-3-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43721505
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 3,4-difluoro-N-(3-methylcyclobutyl)aniline (CID 104860122) is 3,4-difluoro-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3,4-difluoro-N-(3-methylcyclobutyl)aniline?
The InChIKey is CHAQQHSIIKEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-4-9(5-7)14-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 3,4-difluoro-N-(3-methylcyclobutyl)aniline?
3,4-difluoro-N-(3-methylcyclobutyl)aniline has a molecular weight of 197.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104860122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).