1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol

C8H15F2NO — CID 102870130

IUPAC1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCC(NCC1(O)CCC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(7(9)10)11-5-8(12)3-2-4-8/h6-7,11-12H,2-5H2,1H3
InChIKeyGWWYZBVAUPRAHE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.14
Rot. Bonds4

About 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol

1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol (PubChem CID 102870130) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol
PubChem CID102870130
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCC(NCC1(O)CCC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(7(9)10)11-5-8(12)3-2-4-8/h6-7,11-12H,2-5H2,1H3
InChIKeyGWWYZBVAUPRAHE-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Cyclopropylamino)methyl]cyclobutan-1-ol
CID 80500940
1-[(Ethylamino)methyl]cyclobutan-1-ol
CID 81251442
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
3-(Tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134166297
3-(Methylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134367353
3-(2-Methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 138581103
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626
3-(Ethylamino)-1-(fluoromethyl)cyclobutan-1-ol
CID 170133384
3,3-Difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
CID 176752780
(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluoropropan-2-ol
CID 178067145
(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol
CID 178067160

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol (CID 102870130) is 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol is CC(NCC1(O)CCC1)C(F)F.
What is the InChIKey of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is GWWYZBVAUPRAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(7(9)10)11-5-8(12)3-2-4-8/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol?
1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 102870130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).