3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol

C10H20F3NO — CID 115727570

IUPAC3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(4-5-15)7-14-8(2)6-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyCPVZKBDEEFRIKT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds7

About 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol

3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol (PubChem CID 115727570) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol
PubChem CID115727570
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(4-5-15)7-14-8(2)6-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyCPVZKBDEEFRIKT-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol
CID 135080181
1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
4-(Tert-butylamino)-3,3-difluorobutan-1-ol
CID 147517434
4-(Tert-butylamino)-2,2-difluorobutan-1-ol
CID 153299927
2,2-Difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol
CID 155451312
4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
3-[(3-Ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 164877162
Ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 164877253
3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
CID 167135036
2-Ethyl-1-(2,2,2-trifluoroethylamino)butan-1-ol
CID 167309514
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol (CID 115727570) is 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol is CCC(CCO)CNC(C)CC(F)(F)F.
What is the InChIKey of 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol?
The InChIKey is CPVZKBDEEFRIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-9(4-5-15)7-14-8(2)6-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol?
3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]pentan-1-ol is sourced from PubChem (CID 115727570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).