(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol

C10H10ClF3O2 — CID 135154931

IUPAC(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c1-2-8(15)7-5-6(11)3-4-9(7)16-10(12,13)14/h3-5,8,15H,2H2,1H3/t8-/m0/s1
InChIKeyKMESSRCHTFLVPF-QMMMGPOBSA-N
MW254.63 g/mol
LogP3.68
Rot. Bonds3

About (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol

(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 135154931) has the molecular formula C10H10ClF3O2 and a molecular weight of 254.63 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID135154931
Molecular FormulaC10H10ClF3O2
Molecular Weight254.63 g/mol
Exact Mass254.03
IUPAC Name(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c1-2-8(15)7-5-6(11)3-4-9(7)16-10(12,13)14/h3-5,8,15H,2H2,1H3/t8-/m0/s1
InChIKeyKMESSRCHTFLVPF-QMMMGPOBSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
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CID 3041042
(2-(Difluoromethoxy)phenyl)methanol
CID 2736992
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
3-(4-Chloro-2-methylphenoxy)propane-1,2-diol
CID 20332706
1-(4-Chloro-2-methylphenoxy)propan-2-ol
CID 65278075
2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol
CID 2829248
Benzenemethanol, 5-chloro-3-ethyl-2-methoxy-
CID 42034
3-(4-Chloro-2-propylphenoxy)propane-1,2-diol
CID 113939
1,2-Propanediol, 3-(2-allyl-4-chlorophenoxy)-
CID 3048389

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol (CID 135154931) is (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol is CC[C@H](O)c1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is KMESSRCHTFLVPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClF3O2/c1-2-8(15)7-5-6(11)3-4-9(7)16-10(12,13)14/h3-5,8,15H,2H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol?
(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 254.63 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 135154931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).