5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol

C10H21F2NO — CID 106144229

IUPAC5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)C(F)F
InChIInChI=1S/C10H21F2NO/c1-8(9(11)12)13-7-10(2,3)5-4-6-14/h8-9,13-14H,4-7H2,1-3H3
InChIKeyDIYPTSOFTCBZGJ-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.03
Rot. Bonds7

About 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol

5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106144229) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID106144229
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)C(F)F
InChIInChI=1S/C10H21F2NO/c1-8(9(11)12)13-7-10(2,3)5-4-6-14/h8-9,13-14H,4-7H2,1-3H3
InChIKeyDIYPTSOFTCBZGJ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
CID 146342441
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
5-(Tert-butylamino)-3,3-difluoropentan-1-ol
CID 153299938
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
[1-(Ethylaminomethyl)-3,3-difluorocyclobutyl]methanol
CID 155038067
3,3-Difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
CID 155451240
4,4-Difluoro-1-(propan-2-ylamino)pentane-1,5-diol
CID 157032398
[1-[(2,2-Dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol
CID 164717065
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 106144229) is 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol is CC(NCC(C)(C)CCCO)C(F)F.
What is the InChIKey of 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is DIYPTSOFTCBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-8(9(11)12)13-7-10(2,3)5-4-6-14/h8-9,13-14H,4-7H2,1-3H3.
What are the key properties of 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 209.28 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).