N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide

C10H17F3N2O2 — CID 114170057

IUPACN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide
SMILESNCC1(NC(=O)CCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-8(16)15-9(7-14)3-5-17-6-4-9/h1-7,14H2,(H,15,16)
InChIKeyQDIFAHSYVANUGO-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide (PubChem CID 114170057) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide
PubChem CID114170057
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide
SMILESNCC1(NC(=O)CCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-8(16)15-9(7-14)3-5-17-6-4-9/h1-7,14H2,(H,15,16)
InChIKeyQDIFAHSYVANUGO-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
4-(2,2,2-Trifluoroethylamino)oxane-4-carboxamide
CID 60997365
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 79812234
N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide
CID 86929036
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103209456
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 105809084
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 105891810
4-amino-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide
CID 106176976
4-amino-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
CID 106213193
4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide
CID 106291877

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide (CID 114170057) is N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide is NCC1(NC(=O)CCC(F)(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide?
The InChIKey is QDIFAHSYVANUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-8(16)15-9(7-14)3-5-17-6-4-9/h1-7,14H2,(H,15,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide?
N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 114170057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).