3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol

C9H19F2NO — CID 102869655

IUPAC3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-4-9(13,5-2)6-12-7(3)8(10)11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyBVHNIPRYQWZFCK-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds6

About 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol

3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol (PubChem CID 102869655) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol
PubChem CID102869655
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-4-9(13,5-2)6-12-7(3)8(10)11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyBVHNIPRYQWZFCK-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4-[(propan-2-yl)amino]-2-(trifluoromethyl)butan-2-ol
CID 71418338
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59273044
(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459016
(3S)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459432
(3S)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974881
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3R)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 89018951
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
1,1,1,5,5,5-Hexafluoro-3-[(propan-2-ylamino)methyl]pentan-3-ol;phosphoric acid
CID 117840736
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110
3-(Cyclohexylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 121391562
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol (CID 102869655) is 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC(C)C(F)F.
What is the InChIKey of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol?
The InChIKey is BVHNIPRYQWZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-4-9(13,5-2)6-12-7(3)8(10)11/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol?
3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 102869655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).