2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine

C14H19F2NO — CID 116838978

IUPAC2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
SMILESCC(C)Oc1ccc(C(F)(F)C2CCCN2)cc1
InChIInChI=1S/C14H19F2NO/c1-10(2)18-12-7-5-11(6-8-12)14(15,16)13-4-3-9-17-13/h5-8,10,13,17H,3-4,9H2,1-2H3
InChIKeyYSXVBJDNHROLCQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.32
Rot. Bonds4

About 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine

2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine (PubChem CID 116838978) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
PubChem CID116838978
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
SMILESCC(C)Oc1ccc(C(F)(F)C2CCCN2)cc1
InChIInChI=1S/C14H19F2NO/c1-10(2)18-12-7-5-11(6-8-12)14(15,16)13-4-3-9-17-13/h5-8,10,13,17H,3-4,9H2,1-2H3
InChIKeyYSXVBJDNHROLCQ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
CID 116838943
2-[difluoro(phenyl)methyl]azetidine
CID 105440437
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
CID 116839188
2-[4-(trifluoromethyl)phenoxy]azepan-4-ol
CID 70544647

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine (CID 116838978) is 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine is CC(C)Oc1ccc(C(F)(F)C2CCCN2)cc1.
What is the InChIKey of 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine?
The InChIKey is YSXVBJDNHROLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)18-12-7-5-11(6-8-12)14(15,16)13-4-3-9-17-13/h5-8,10,13,17H,3-4,9H2,1-2H3.
What are the key properties of 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine?
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 116838978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).