(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine

C10H19F2NO — CID 142810124

IUPAC(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
SMILESC/C=C(\OC(C)C)C(N)C(F)(F)CC
InChIInChI=1S/C10H19F2NO/c1-5-8(14-7(3)4)9(13)10(11,12)6-2/h5,7,9H,6,13H2,1-4H3/b8-5-
InChIKeyIDXLEDOCTAZIMF-YVMONPNESA-N
MW207.26 g/mol
LogP2.69
Rot. Bonds5

About (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine

(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine (PubChem CID 142810124) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine.

Molecular Properties

Compound Name(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
PubChem CID142810124
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
SMILESC/C=C(\OC(C)C)C(N)C(F)(F)CC
InChIInChI=1S/C10H19F2NO/c1-5-8(14-7(3)4)9(13)10(11,12)6-2/h5,7,9H,6,13H2,1-4H3/b8-5-
InChIKeyIDXLEDOCTAZIMF-YVMONPNESA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,2-Difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
CID 89205781
(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89246179
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883593
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine?
The IUPAC name of (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine (CID 142810124) is (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine.
What is the SMILES notation for (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine?
The canonical SMILES for (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine is C/C=C(\OC(C)C)C(N)C(F)(F)CC.
What is the InChIKey of (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine?
The InChIKey is IDXLEDOCTAZIMF-YVMONPNESA-N. The full InChI is InChI=1S/C10H19F2NO/c1-5-8(14-7(3)4)9(13)10(11,12)6-2/h5,7,9H,6,13H2,1-4H3/b8-5-.
What are the key properties of (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine?
(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine has a molecular weight of 207.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine is sourced from PubChem (CID 142810124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).