bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride

C17H16ClF4NO — CID 45357010

IUPACbis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)[C@H]1CCCN1
InChIInChI=1S/C17H15F4NO.ClH/c18-12-5-3-10(8-14(12)20)17(23,16-2-1-7-22-16)11-4-6-13(19)15(21)9-11;/h3-6,8-9,16,22-23H,1-2,7H2;1H/t16-;/m1./s1
InChIKeyKZESFOYIPJWRQZ-PKLMIRHRSA-N
MW361.77 g/mol
LogP3.65
Rot. Bonds3

About bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride

bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 45357010) has the molecular formula C17H16ClF4NO and a molecular weight of 361.77 g/mol. Its IUPAC name is bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Namebis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID45357010
Molecular FormulaC17H16ClF4NO
Molecular Weight361.77 g/mol
Exact Mass361.09
IUPAC Namebis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)[C@H]1CCCN1
InChIInChI=1S/C17H15F4NO.ClH/c18-12-5-3-10(8-14(12)20)17(23,16-2-1-7-22-16)11-4-6-13(19)15(21)9-11;/h3-6,8-9,16,22-23H,1-2,7H2;1H/t16-;/m1./s1
InChIKeyKZESFOYIPJWRQZ-PKLMIRHRSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride (CID 45357010) is bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride is Cl.OC(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)[C@H]1CCCN1.
What is the InChIKey of bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is KZESFOYIPJWRQZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H15F4NO.ClH/c18-12-5-3-10(8-14(12)20)17(23,16-2-1-7-22-16)11-4-6-13(19)15(21)9-11;/h3-6,8-9,16,22-23H,1-2,7H2;1H/t16-;/m1./s1.
What are the key properties of bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 361.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 45357010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).