1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol

C12H14F3NO — CID 117117445

IUPAC1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C(F)(F)F)c(C2(O)CC2)c1
InChIInChI=1S/C12H14F3NO/c1-16(2)8-3-4-9(12(13,14)15)10(7-8)11(17)5-6-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyPRIOFAVGSCCMPO-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.75
Rot. Bonds2

About 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol

1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol (PubChem CID 117117445) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
PubChem CID117117445
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C(F)(F)F)c(C2(O)CC2)c1
InChIInChI=1S/C12H14F3NO/c1-16(2)8-3-4-9(12(13,14)15)10(7-8)11(17)5-6-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyPRIOFAVGSCCMPO-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol (CID 117117445) is 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol is CN(C)c1ccc(C(F)(F)F)c(C2(O)CC2)c1.
What is the InChIKey of 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The InChIKey is PRIOFAVGSCCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16(2)8-3-4-9(12(13,14)15)10(7-8)11(17)5-6-11/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117117445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).