3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine

C7H8ClF2NS — CID 127009893

IUPAC3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1csc(Cl)c1)C(F)F
InChIInChI=1S/C7H8ClF2NS/c8-6-2-4(3-12-6)1-5(11)7(9)10/h2-3,5,7H,1,11H2
InChIKeyWCNUPKOWHYWUHA-UHFFFAOYSA-N
MW211.66 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine

3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine (PubChem CID 127009893) has the molecular formula C7H8ClF2NS and a molecular weight of 211.66 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine
PubChem CID127009893
Molecular FormulaC7H8ClF2NS
Molecular Weight211.66 g/mol
Exact Mass211.00
IUPAC Name3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1csc(Cl)c1)C(F)F
InChIInChI=1S/C7H8ClF2NS/c8-6-2-4(3-12-6)1-5(11)7(9)10/h2-3,5,7H,1,11H2
InChIKeyWCNUPKOWHYWUHA-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dichlorothiophen-3-yl)butan-1-amine
CID 65305901
2-(2,5-Dichlorothiophen-3-yl)-2,2-difluoroethan-1-amine
CID 105558953
3-(2,5-Dichlorothiophen-3-yl)propan-1-amine hydrochloride
CID 165941160
(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 25014176
(Z)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029547
2-[(5-Chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982442
1-Chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
CID 162376666
(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
CID 169041132
1-(2,5-Dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43167346
1-(2,5-Dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248572
1-(2,5-Dichlorothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 43344844
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 43486842

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine (CID 127009893) is 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine is NC(Cc1csc(Cl)c1)C(F)F.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine?
The InChIKey is WCNUPKOWHYWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2NS/c8-6-2-4(3-12-6)1-5(11)7(9)10/h2-3,5,7H,1,11H2.
What are the key properties of 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine?
3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine has a molecular weight of 211.66 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 127009893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).