(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene

C18H14ClF3OS — CID 141097872

IUPAC(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene
SMILESCCSc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C=C3)cc1
InChIInChI=1S/C18H14ClF3OS/c1-2-24-14-6-3-11(4-7-14)15-10-13(19)9-12-5-8-16(18(20,21)22)23-17(12)15/h3-10,16H,2H2,1H3/t16-/m1/s1
InChIKeyYHSHQKMTPKYWOF-MRXNPFEDSA-N
MW370.82 g/mol
LogP6.46
Rot. Bonds3

About (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene

(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene (PubChem CID 141097872) has the molecular formula C18H14ClF3OS and a molecular weight of 370.82 g/mol. Its IUPAC name is (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene
PubChem CID141097872
Molecular FormulaC18H14ClF3OS
Molecular Weight370.82 g/mol
Exact Mass370.04
IUPAC Name(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene
SMILESCCSc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C=C3)cc1
InChIInChI=1S/C18H14ClF3OS/c1-2-24-14-6-3-11(4-7-14)15-10-13(19)9-12-5-8-16(18(20,21)22)23-17(12)15/h3-10,16H,2H2,1H3/t16-/m1/s1
InChIKeyYHSHQKMTPKYWOF-MRXNPFEDSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.82
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene (CID 141097872) is (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene is CCSc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C=C3)cc1.
What is the InChIKey of (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is YHSHQKMTPKYWOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14ClF3OS/c1-2-24-14-6-3-11(4-7-14)15-10-13(19)9-12-5-8-16(18(20,21)22)23-17(12)15/h3-10,16H,2H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene?
(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 370.82 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141097872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).