(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol

C15H14F3NOS — CID 103960715

IUPAC(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3NOS/c1-2-12(20)11-5-3-4-6-13(11)21-14-8-7-10(9-19-14)15(16,17)18/h3-9,12,20H,2H2,1H3/t12-/m0/s1
InChIKeyAIRKKAQDDPNHHU-LBPRGKRZSA-N
MW313.34 g/mol
LogP4.70
Rot. Bonds4

About (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol

(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol (PubChem CID 103960715) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
PubChem CID103960715
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3NOS/c1-2-12(20)11-5-3-4-6-13(11)21-14-8-7-10(9-19-14)15(16,17)18/h3-9,12,20H,2H2,1H3/t12-/m0/s1
InChIKeyAIRKKAQDDPNHHU-LBPRGKRZSA-N
XLogP4.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
CID 63805451
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
CID 20623707
N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
CID 78969097
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol (CID 103960715) is (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol?
The InChIKey is AIRKKAQDDPNHHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-2-12(20)11-5-3-4-6-13(11)21-14-8-7-10(9-19-14)15(16,17)18/h3-9,12,20H,2H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol?
(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol has a molecular weight of 313.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol is sourced from PubChem (CID 103960715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).