(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine

C10H11F2NOS — CID 10585609

IUPAC(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine
SMILESCc1ccc([S@](=O)/C=C(\N)C(F)F)cc1
InChIInChI=1S/C10H11F2NOS/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-6,10H,13H2,1H3/b9-6-/t15-/m1/s1
InChIKeyMDCXCASFEVAVDE-WUKHSURWSA-N
MW231.27 g/mol
LogP2.17
Rot. Bonds3

About (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine

(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine (PubChem CID 10585609) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine
PubChem CID10585609
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine
SMILESCc1ccc([S@](=O)/C=C(\N)C(F)F)cc1
InChIInChI=1S/C10H11F2NOS/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-6,10H,13H2,1H3/b9-6-/t15-/m1/s1
InChIKeyMDCXCASFEVAVDE-WUKHSURWSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine?
The IUPAC name of (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine (CID 10585609) is (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine.
What is the SMILES notation for (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine?
The canonical SMILES for (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine is Cc1ccc([S@](=O)/C=C(\N)C(F)F)cc1.
What is the InChIKey of (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine?
The InChIKey is MDCXCASFEVAVDE-WUKHSURWSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-6,10H,13H2,1H3/b9-6-/t15-/m1/s1.
What are the key properties of (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine?
(Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-difluoro-1-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-amine is sourced from PubChem (CID 10585609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).