[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol

C13H13F6NO — CID 115763173

IUPAC[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)9-3-8(4-10(5-9)13(17,18)19)6-20-11(7-21)1-2-11/h3-5,20-21H,1-2,6-7H2
InChIKeyLPMJNVKGQHXQSD-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.34
Rot. Bonds4

About [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol

[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol (PubChem CID 115763173) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
PubChem CID115763173
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)9-3-8(4-10(5-9)13(17,18)19)6-20-11(7-21)1-2-11/h3-5,20-21H,1-2,6-7H2
InChIKeyLPMJNVKGQHXQSD-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol (CID 115763173) is [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol is OCC1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol?
The InChIKey is LPMJNVKGQHXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c14-12(15,16)9-3-8(4-10(5-9)13(17,18)19)6-20-11(7-21)1-2-11/h3-5,20-21H,1-2,6-7H2.
What are the key properties of [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol?
[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).