2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

C10H18F3NOS — CID 103372583

IUPAC2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)8(6-14)7-16(15)9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeyHDLHSITXPUWWKB-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.20
Rot. Bonds4

About 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372583) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372583
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)8(6-14)7-16(15)9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeyHDLHSITXPUWWKB-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine
CID 60884497
3-Cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64698459
3-Cyclohexylsulfinyl-4,4,4-trifluorobutan-1-amine
CID 81328376
4,4,4-Trifluoro-3-(2-methylpropylsulfinyl)butan-1-amine
CID 81328960
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
CID 81333618
2-(Cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371661
2-(Cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372542
2-(Butan-2-ylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372568
2-(Tert-butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372570
3,3,3-Trifluoro-2-(2-methylpropylsulfinylmethyl)propan-1-amine
CID 103372577
2-(Butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372581
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine
CID 103372588

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372583) is 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is HDLHSITXPUWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c11-10(12,13)8(6-14)7-16(15)9-4-2-1-3-5-9/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).