N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine

C9H10ClF2NS — CID 164650654

IUPACN-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine
SMILESFC1(F)CC(NCc2csc(Cl)c2)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-1-6(5-14-8)4-13-7-2-9(11,12)3-7/h1,5,7,13H,2-4H2
InChIKeyDVYSZDTWTOROMU-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.29
Rot. Bonds3

About N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine

N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine (PubChem CID 164650654) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine
PubChem CID164650654
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC NameN-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine
SMILESFC1(F)CC(NCc2csc(Cl)c2)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-1-6(5-14-8)4-13-7-2-9(11,12)3-7/h1,5,7,13H,2-4H2
InChIKeyDVYSZDTWTOROMU-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 102869537
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 102976653
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 102976664
N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 102976736
N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 102976982
N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 105555441
N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2-difluoroethanamine
CID 105556812
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210046
N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289348
1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427045
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 107961499

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine (CID 164650654) is N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine is FC1(F)CC(NCc2csc(Cl)c2)C1.
What is the InChIKey of N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine?
The InChIKey is DVYSZDTWTOROMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c10-8-1-6(5-14-8)4-13-7-2-9(11,12)3-7/h1,5,7,13H,2-4H2.
What are the key properties of N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine?
N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine has a molecular weight of 237.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine is sourced from PubChem (CID 164650654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).