3-[1-(1-fluoroethyl)cyclobutyl]aniline

C12H16FN — CID 84720155

IUPAC3-[1-(1-fluoroethyl)cyclobutyl]aniline
SMILESCC(F)C1(c2cccc(N)c2)CCC1
InChIInChI=1S/C12H16FN/c1-9(13)12(6-3-7-12)10-4-2-5-11(14)8-10/h2,4-5,8-9H,3,6-7,14H2,1H3
InChIKeySMKSPZSACFSYIH-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.05
Rot. Bonds2

About 3-[1-(1-fluoroethyl)cyclobutyl]aniline

3-[1-(1-fluoroethyl)cyclobutyl]aniline (PubChem CID 84720155) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-[1-(1-fluoroethyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-[1-(1-fluoroethyl)cyclobutyl]aniline
PubChem CID84720155
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-[1-(1-fluoroethyl)cyclobutyl]aniline
SMILESCC(F)C1(c2cccc(N)c2)CCC1
InChIInChI=1S/C12H16FN/c1-9(13)12(6-3-7-12)10-4-2-5-11(14)8-10/h2,4-5,8-9H,3,6-7,14H2,1H3
InChIKeySMKSPZSACFSYIH-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(1-fluoroethyl)cyclopropyl]aniline
CID 84718251
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
3-(1-aminocyclopentyl)aniline
CID 117047301
3-(3-fluorooxan-3-yl)aniline
CID 105448971
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
3-[1-(ethylsulfanylmethyl)cyclobutyl]aniline
CID 115033022
3-(3-fluoro-1-methylpiperidin-3-yl)aniline
CID 105461987
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
3-[2-(3-aminophenyl)-1,3-dithian-2-yl]aniline
CID 11185739

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-fluoroethyl)cyclobutyl]aniline?
The IUPAC name of 3-[1-(1-fluoroethyl)cyclobutyl]aniline (CID 84720155) is 3-[1-(1-fluoroethyl)cyclobutyl]aniline.
What is the SMILES notation for 3-[1-(1-fluoroethyl)cyclobutyl]aniline?
The canonical SMILES for 3-[1-(1-fluoroethyl)cyclobutyl]aniline is CC(F)C1(c2cccc(N)c2)CCC1.
What is the InChIKey of 3-[1-(1-fluoroethyl)cyclobutyl]aniline?
The InChIKey is SMKSPZSACFSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(13)12(6-3-7-12)10-4-2-5-11(14)8-10/h2,4-5,8-9H,3,6-7,14H2,1H3.
What are the key properties of 3-[1-(1-fluoroethyl)cyclobutyl]aniline?
3-[1-(1-fluoroethyl)cyclobutyl]aniline has a molecular weight of 193.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-fluoroethyl)cyclobutyl]aniline is sourced from PubChem (CID 84720155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).