(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane

C7H17F2NS — CID 162207968

IUPAC(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane
SMILESC.N[C@H]1CCCC(F)(F)C1.S
InChIInChI=1S/C6H11F2N.CH4.H2S/c7-6(8)3-1-2-5(9)4-6;;/h5H,1-4,9H2;1H4;1H2/t5-;;/m0../s1
InChIKeyZSLOHBIKOBQJNN-XRIGFGBMSA-N
MW185.28 g/mol
LogP2.27
Rot. Bonds

About (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane

(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane (PubChem CID 162207968) has the molecular formula C7H17F2NS and a molecular weight of 185.28 g/mol. Its IUPAC name is (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane.

Molecular Properties

Compound Name(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane
PubChem CID162207968
Molecular FormulaC7H17F2NS
Molecular Weight185.28 g/mol
Exact Mass185.10
IUPAC Name(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane
SMILESC.N[C@H]1CCCC(F)(F)C1.S
InChIInChI=1S/C6H11F2N.CH4.H2S/c7-6(8)3-1-2-5(9)4-6;;/h5H,1-4,9H2;1H4;1H2/t5-;;/m0../s1
InChIKeyZSLOHBIKOBQJNN-XRIGFGBMSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane?
The IUPAC name of (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane (CID 162207968) is (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane.
What is the SMILES notation for (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane?
The canonical SMILES for (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane is C.N[C@H]1CCCC(F)(F)C1.S.
What is the InChIKey of (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane?
The InChIKey is ZSLOHBIKOBQJNN-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11F2N.CH4.H2S/c7-6(8)3-1-2-5(9)4-6;;/h5H,1-4,9H2;1H4;1H2/t5-;;/m0../s1.
What are the key properties of (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane?
(1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane has a molecular weight of 185.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluorocyclohexan-1-amine;methane;sulfane is sourced from PubChem (CID 162207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).