2,5-difluoro-N-(oxolan-3-ylmethyl)aniline

C11H13F2NO — CID 43192592

IUPAC2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
SMILESFc1ccc(F)c(NCC2CCOC2)c1
InChIInChI=1S/C11H13F2NO/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyKJRUJVZAVNYKGF-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.41
Rot. Bonds3

About 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline

2,5-difluoro-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43192592) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
PubChem CID43192592
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
SMILESFc1ccc(F)c(NCC2CCOC2)c1
InChIInChI=1S/C11H13F2NO/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyKJRUJVZAVNYKGF-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
4-fluoro-2-iodo-N-(oxolan-3-ylmethyl)aniline
CID 79769061
4-fluoro-3-(oxolan-3-ylmethylamino)benzoic acid
CID 43728204
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
methyl 4-fluoro-3-(oxolan-3-ylmethylamino)benzoate
CID 43684495
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
3-fluoro-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 130678795
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
3-fluoro-4-(oxolan-3-ylmethylamino)benzonitrile
CID 61040182
2,3-difluoro-4-(oxolan-3-ylmethylamino)benzonitrile
CID 114017704
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline (CID 43192592) is 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline is Fc1ccc(F)c(NCC2CCOC2)c1.
What is the InChIKey of 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is KJRUJVZAVNYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline?
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 213.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43192592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).