(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-3,3-difluoro-1-(4-methylphenyl)sulfinylprop-1-en-2-amine
CID 165344931
(Z)-3-methyl-4-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-one
CID 124655675
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
1-[(S)-ethenylsulfinyl]-4-methylbenzene
CID 10487263
(6Z)-6-[[(R)-(4-methylphenyl)sulfinyl]methylidene]decan-5-one
CID 53305514
(E,3S)-4-methyl-1-(4-methylphenyl)sulfinylpent-1-en-3-ol
CID 101075459
4-methyl-1-[(R)-(4-methylphenyl)sulfinyl]pent-1-en-3-one
CID 71350229
triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane
CID 53306489
(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane
CID 15372235
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
1-[(R)-[(Z)-3-chloro-3,3-difluoro-2-phenylmethoxyprop-1-enyl]sulfinyl]-4-methylbenzene
CID 10832141
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736

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).