3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline

C12H15ClFNO — CID 78925566

IUPAC3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1ccc(NCCC2CCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c13-11-8-9(3-4-12(11)14)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyUTYKSMDEJPYVFO-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline

3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 78925566) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID78925566
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1ccc(NCCC2CCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c13-11-8-9(3-4-12(11)14)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyUTYKSMDEJPYVFO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809567
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
4-chloro-5-fluoro-1-N-[2-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 66079185
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
3-iodo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163284
2-methyl-4-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 81273129
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870104
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
1-(3,4-dichlorophenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729222
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline (CID 78925566) is 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline is Fc1ccc(NCCC2CCCO2)cc1Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is UTYKSMDEJPYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-8-9(3-4-12(11)14)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 243.71 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 78925566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).