3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide

C10H13F6NO2 — CID 103310191

IUPAC3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1CCCC1O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-5-2-1-3-6(5)18/h5-7,18H,1-4H2,(H,17,19)
InChIKeySHOJJDSAFCGNKK-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.00
Rot. Bonds3

About 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310191) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
PubChem CID103310191
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1CCCC1O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-5-2-1-3-6(5)18/h5-7,18H,1-4H2,(H,17,19)
InChIKeySHOJJDSAFCGNKK-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280270
2,2,2-trifluoro-N-[2-(2-hydroxycyclopentyl)ethyl]acetamide
CID 134293377
2,2,2-trifluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64910689
3,3,3-trifluoro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929865
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65833415
2,2,2-trifluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833844
N-[(2-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65834384
4,4,4-trifluoro-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 65834820
2,2,2-trifluoroethyl N-[(2-hydroxycyclopentyl)methyl]carbamate
CID 65836642
2-[(2,2-Difluoroethylamino)methyl]cyclopentan-1-ol
CID 65837627
2-[(2,2,2-Trifluoroethylamino)methyl]cyclopentan-1-ol
CID 65838636
2-[(2-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65838650

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide (CID 103310191) is 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide is O=C(NCC1CCCC1O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is SHOJJDSAFCGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-5-2-1-3-6(5)18/h5-7,18H,1-4H2,(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 293.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).