N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine

C10H14ClF2NS — CID 107487797

IUPACN-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine
SMILESFC(F)CN(CCCl)CCc1cccs1
InChIInChI=1S/C10H14ClF2NS/c11-4-6-14(8-10(12)13)5-3-9-2-1-7-15-9/h1-2,7,10H,3-6,8H2
InChIKeyGMVJMJBSMSUQPY-UHFFFAOYSA-N
MW253.74 g/mol
LogP3.10
Rot. Bonds7

About N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine

N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 107487797) has the molecular formula C10H14ClF2NS and a molecular weight of 253.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID107487797
Molecular FormulaC10H14ClF2NS
Molecular Weight253.74 g/mol
Exact Mass253.05
IUPAC NameN-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine
SMILESFC(F)CN(CCCl)CCc1cccs1
InChIInChI=1S/C10H14ClF2NS/c11-4-6-14(8-10(12)13)5-3-9-2-1-7-15-9/h1-2,7,10H,3-6,8H2
InChIKeyGMVJMJBSMSUQPY-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487867
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-(5-chloropentyl)thiophene
CID 4912993
N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
CID 107488082
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
N-(2-chloroethyl)-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 107487986

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine (CID 107487797) is N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine is FC(F)CN(CCCl)CCc1cccs1.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is GMVJMJBSMSUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NS/c11-4-6-14(8-10(12)13)5-3-9-2-1-7-15-9/h1-2,7,10H,3-6,8H2.
What are the key properties of N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine?
N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 253.74 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 107487797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).