4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine

C11H16FNS — CID 112562443

IUPAC4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine
SMILESCc1ccsc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H16FNS/c1-8-4-7-14-10(8)11(12)5-2-9(13)3-6-11/h4,7,9H,2-3,5-6,13H2,1H3
InChIKeyLAGMEYYWNLDMFM-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.12
Rot. Bonds1

About 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine

4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine (PubChem CID 112562443) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine
PubChem CID112562443
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine
SMILESCc1ccsc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H16FNS/c1-8-4-7-14-10(8)11(12)5-2-9(13)3-6-11/h4,7,9H,2-3,5-6,13H2,1H3
InChIKeyLAGMEYYWNLDMFM-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine (CID 112562443) is 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine is Cc1ccsc1C1(F)CCC(N)CC1.
What is the InChIKey of 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The InChIKey is LAGMEYYWNLDMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-4-7-14-10(8)11(12)5-2-9(13)3-6-11/h4,7,9H,2-3,5-6,13H2,1H3.
What are the key properties of 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine?
4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-methylthiophen-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 112562443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).